CID 22633785

1h,2h,3h,4h-benzo[h]isoquinoline hydrochloride

Structural Information

Molecular Formula
C13H13N
SMILES
C1CNCC2=C1C=CC3=CC=CC=C23
InChI
InChI=1S/C13H13N/c1-2-4-12-10(3-1)5-6-11-7-8-14-9-13(11)12/h1-6,14H,7-9H2
InChIKey
BNWUYMPBSBQTEX-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrobenzo[h]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

183.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 137.6
[M+Na]+ 206.09402 144.6
[M-H]- 182.09752 139.7
[M+NH4]+ 201.13862 157.3
[M+K]+ 222.06796 139.4
[M+H-H2O]+ 166.10206 130.5
[M+HCOO]- 228.10300 154.9
[M+CH3COO]- 242.11865 149.5
[M+Na-2H]- 204.07947 147.0
[M]+ 183.10425 132.5
[M]- 183.10535 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe